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| CAS No.: | 626-55-1 |
|---|---|
| Name: | 3-Pyridyl bromide |
| Molecular Structure: | |
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| Formula: | C5H4BrN |
| Molecular Weight: | 157.997 |
| Synonyms: | Pyridine, 3-bromo-;3-Pyridyl bromide; |
| EINECS: | 210-952-0 |
| Density: | 1.598 g/cm3 |
| Melting Point: | -27 °C |
| Boiling Point: | 168.2 °C at 760 mmHg |
| Flash Point: | 51.7 °C |
| Solubility: | Soluble in water (31 g/L at 20°C). |
| Appearance: | clear colourless to yellow liquid |
| Hazard Symbols: |
 Xn,  T,  F,  Xi
|
| Risk Codes: | 10-22-36/37/38-23/24/25-20/21/22 |
| Safety: | 26-45-38-36/37/39-28A-16 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 12.89000 |
| LogP: | 1.84410 |
bis(3-pyridyl)mercury
3-Bromopyridine
| Conditions | Yield |
|---|---|
| With bromine In nitrobenzene at 120℃; for 2h; | 99% |
| Conditions | Yield |
|---|---|
| With 2,3-dimethyl-2,3-butane diol; bis(N,N-dimethylformamide)dichloridodioxidomolybdenum(VI) In N,N-dimethyl acetamide at 130℃; Microwave irradiation; Sealed tube; Green chemistry; chemoselective reaction; | 94% |
| With sodium hypophosphite; palladium on activated charcoal In acetic acid at 60℃; for 0.5h; | 93% |
| With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate In dichloromethane at 31℃; for 16h; Sealed tube; Irradiation; | 44% |
| Conditions | Yield |
|---|---|
| With N-octylquinolinium tribromide at 20℃; for 4h; | 91% |
| With sulfuric acid; bromine at 0 - 130℃; for 8h; Time; | 75% |
| With sulfuric acid; bromine at 0 - 130℃; for 8h; | 75% |
| Conditions | Yield |
|---|---|
| With bromine In nitrobenzene at 120℃; for 2h; | 86.2% |
| With bromine In nitrobenzene at 120 - 160℃; for 2h; | 86% |
| Conditions | Yield |
|---|---|
| With bromine In cyclohexane at 0 - 5℃; for 1h; | A 86% B 10% |
| With bromine In cyclohexane at 75℃; for 1h; | A 32% B 66% |
| Conditions | Yield |
|---|---|
| With tert-Butyl thionitrate; copper(ll) bromide In acetonitrile at 25℃; for 6h; | 80% |
| With copper(I) bromide; hydrogen bromide; sodium nitrite | 80% |
| With copper(ll) bromide; isopentyl nitrite at 25℃; for 1h; Sandmeyer Reaction; Inert atmosphere; | 55% |
| With hydrogen bromide; copper; sodium nitrite Diazotization; |
3-bromo-1-methylpyridinium iodide
3-Bromopyridine
| Conditions | Yield |
|---|---|
| With 1-methyl-1H-imidazole at 200℃; for 0.25h; | 76% |
pyridine N-oxide
2-bromo-pyridine
A
3-Bromopyridine
B
2,2':6',2"-terpyridine 1'-oxide
| Conditions | Yield |
|---|---|
| With potassium phosphate; tri-tert-butyl phosphine; palladium diacetate In toluene at 120℃; for 24h; Inert atmosphere; Glovebox; | A 50% B 26% |
3-bromopyridine N-oxide
N,N-Dimethylthiocarbamoyl chloride
A
3-Bromopyridine
| Conditions | Yield |
|---|---|
| In acetonitrile at 81℃; for 4h; | A 41% B 5% |
2,3-dibromopyridine
4-chloro-2-trimethylsilylpyridine
A
3-Bromopyridine
B
4,4'-dichloro-2,2'-bipyridine
| Conditions | Yield |
|---|---|
| With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; triphenylphosphine In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere; | A 40% B 35% |
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The 3-Bromopyridine is an organic compound with the formula C5H4BrN. The IUPAC name of this chemical is 3-bromopyridine. With the CAS registry number 626-55-1, it is also named as Pyridine, 3-bromo-. The product's categories are Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine series; Pyridines; Bromine Compounds; Miscellaneous Compounds; Bromopyridines; Halopyridines; C5Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. Besides, it is clear colourless to yellow liquid, which should be stored in a closed dark and dry place. It is used for organic synthesis.
Physical properties about 3-Bromopyridine are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.75; (4)ACD/BCF (pH 5.5): 12.58; (5)ACD/BCF (pH 7.4): 12.61; (6)ACD/KOC (pH 5.5): 213.09; (7)ACD/KOC (pH 7.4): 213.58; (8)#H bond acceptors: 1 ; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 32.03 cm3; (12)Molar Volume: 98.8 cm3; (13)Polarizability: 12.69×10-24cm3; (14)Surface Tension: 42.1 dyne/cm; (15)Density: 1.598 g/cm3; (16)Flash Point: 51.7 °C; (17)Enthalpy of Vaporization: 38.8 kJ/mol; (18)Boiling Point: 168.2 °C at 760 mmHg; (19)Vapour Pressure: 2.16 mmHg at 25°C.
Preparation: this chemical can be prepared by pyridin-3-ylamine. This reaction will need reagent HBr/Cu2Br2, NaNO2. The yield is about 80%.
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Uses of 3-Bromopyridine: it can be used to produce 3-methoxy-pyridine at temperature of 150 - 160 °C.
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When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. please keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and toxic by inhalation, in contact with skin and if swallowed. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccnc1
(2)InChI: InChI=1/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
(3)InChIKey: NYPYPOZNGOXYSU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
(5)Std. InChIKey: NYPYPOZNGOXYSU-UHFFFAOYSA-N
